6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

C16H13NO2 — CID 2806511

IUPAC6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESO=C1OCC/N=C(/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO2/c18-16-14-9-5-4-8-13(14)15(17-10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/b17-15-
InChIKeyXEWLRZJJSSLIKH-ICFOKQHNSA-N
MW251.29 g/mol
LogP2.69
Rot. Bonds1

About 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (PubChem CID 2806511) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.

Molecular Properties

Compound Name6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
PubChem CID2806511
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESO=C1OCC/N=C(/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO2/c18-16-14-9-5-4-8-13(14)15(17-10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/b17-15-
InChIKeyXEWLRZJJSSLIKH-ICFOKQHNSA-N
XLogP2.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The IUPAC name of 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (CID 2806511) is 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.
What is the SMILES notation for 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The canonical SMILES for 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is O=C1OCC/N=C(/c2ccccc2)c2ccccc21.
What is the InChIKey of 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The InChIKey is XEWLRZJJSSLIKH-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14-9-5-4-8-13(14)15(17-10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2/b17-15-.
What are the key properties of 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one has a molecular weight of 251.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is sourced from PubChem (CID 2806511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).